(1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride

C9H10ClNO — CID 12610562

IUPAC(1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride
SMILESCO/N=C(\Cl)c1ccc(C)cc1
InChIInChI=1S/C9H10ClNO/c1-7-3-5-8(6-4-7)9(10)11-12-2/h3-6H,1-2H3/b11-9-
InChIKeyFWTBIKUGNFNXBF-LUAWRHEFSA-N
MW183.64 g/mol
LogP2.54
Rot. Bonds2

About (1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride

(1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride (PubChem CID 12610562) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride
PubChem CID12610562
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride
SMILESCO/N=C(\Cl)c1ccc(C)cc1
InChIInChI=1S/C9H10ClNO/c1-7-3-5-8(6-4-7)9(10)11-12-2/h3-6H,1-2H3/b11-9-
InChIKeyFWTBIKUGNFNXBF-LUAWRHEFSA-N
XLogP2.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride (CID 12610562) is (1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride is CO/N=C(\Cl)c1ccc(C)cc1.
What is the InChIKey of (1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride?
The InChIKey is FWTBIKUGNFNXBF-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7-3-5-8(6-4-7)9(10)11-12-2/h3-6H,1-2H3/b11-9-.
What are the key properties of (1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride?
(1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride has a molecular weight of 183.64 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methoxy-4-methylbenzenecarboximidoyl chloride is sourced from PubChem (CID 12610562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).